4-[4-(phenylmethylsulfanyl)pyrazolo[3,4-d]pyrimidin-1-yl]benzenesulfonamide

Systemtic Name: 4-[4-(phenylmethylsulfanyl)pyrazolo[3,4-d]pyrimidin-1-yl]benzenesulfonamide Openeye Name: 4-(4-benzylsulfanylpyrazolo[3,4-d]pyrimidin-1-yl)benzenesulfonamide CAS Name: 4-[4-(phenylmethylthio)-1-pyrazolo[3,4-d]pyrimidinyl]benzenesulfonamide IUPAC Name: 4-(4-benzylsulfanylpyrazolo[3,4-d]pyrimidin-1-yl)benzenesulfonamide Traditional Name: 4-[4-(benzylthio)pyrazolo[3,4-d]pyrimidin-1-yl]benzenesulfonamide Formula: C18H15N5O2S2 MolecularWeight: 397.474

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NC=NC3=C2C=NN3C4=CC=C(C=C4)S(=O)(=O)N

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NC=NC3=C2C=NN3C4=CC=C(C=C4)S(=O)(=O)N

InChI

InChI=1S/C18H15N5O2S2/c19-27(24,25)15-8-6-14(7-9-15)23-17-16(10-22-23)18(21-12-20-17)26-11-13-4-2-1-3-5-13/h1-10,12H,11H2,(H2,19,24,25)